Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.57 |
| ▸ | BCHE | P06276 | 9/20 | 0.52 |
| ▸ | BACE1 | P56817 | 8/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SCN4A | P35499 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1993388 | 1.00 | ACHE (0.57) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| SCHEMBL20019719 | 1.00 | ACHE (0.57) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| SCHEMBL14018259 | 1.00 | ACHE (0.57) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| SCHEMBL12395260 | 1.00 | ACHE (0.57) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| SCHEMBL690845 | 1.00 | ACHE (0.57) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| SCHEMBL352022 | 1.00 | ACHE (0.57) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| Hydrochloric Acid SCHEMBL20597421 | 0.98 | ACHE (0.55) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| Hydrochloric Acid SCHEMBL22500017 | 0.98 | ACHE (0.55) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| Hydrochloric Acid SCHEMBL2148084 | 0.98 | ACHE (0.55) | ACHEBCHEBACE1ALDH1A1SCN4A | |
| Hydrochloric Acid SCHEMBL1373413 | 0.98 | ACHE (0.55) | ACHEBCHEBACE1ALDH1A1SCN4A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113125587-B | Tofacitinib intermediate and detection method of enantiomer thereof | 成都百裕制药股份有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-113549075-A | Synthesis method of tofacitinib citrate diastereoisomer impurity | 合肥华方医药科技有限公司 | 2021-10-26 | — | — | CN | disclosed |
| WO-2018060512-A1 | PROCESS FOR PREPARING CHIRAL AMINES | PATHEON AUSTRIA GMBH & CO KG (AT) | 2018-04-05 | — | — | WO | disclosed |
| EP-3301087-A1 | PROCESS FOR PREPARING CHIRAL AMINES | DPx Fine Chemicals Austria GmbH & Co KG (AT) | 2018-04-04 | — | — | EP | disclosed |